5N37
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule N-(1,3-benzodioxol-5-ylmethyl)cyclopentanamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.754, 72.649, 108.286 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.684 - 1.589 |
| R-factor | 0.1454 |
| Rwork | 0.144 |
| R-free | 0.16680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wih |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.589 | 1.589 |
| Rmeas | 0.045 | 0.535 |
| Number of reflections | 63037 | 9994 |
| <I/σ(I)> | 24.22 | 3.81 |
| Completeness [%] | 99.9 | 99.5 |
| Redundancy | 7.35 | 7.15 |
| CC(1/2) | 0.990 | 0.890 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.9 | 277 | MES-BIS-TRIS Mega8-Solution DTT EDTA LiCl Methanol |
